N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine

C18H21N3O3S — CID 23850129

IUPACN-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1ccccn1
InChIInChI=1S/C18H21N3O3S/c1-24-18-13-16(25(22,23)21-11-5-2-6-12-21)8-9-17(18)20-14-15-7-3-4-10-19-15/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/b20-14+
InChIKeyFQPNMJAOMDOTAB-XSFVSMFZSA-N
MW359.45 g/mol
LogP3.02
Rot. Bonds5

About N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine

N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine (PubChem CID 23850129) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
PubChem CID23850129
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1ccccn1
InChIInChI=1S/C18H21N3O3S/c1-24-18-13-16(25(22,23)21-11-5-2-6-12-21)8-9-17(18)20-14-15-7-3-4-10-19-15/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/b20-14+
InChIKeyFQPNMJAOMDOTAB-XSFVSMFZSA-N
XLogP3.02
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 2351511
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine
CID 23763226
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]pyridine-2-sulfonamide
CID 166348760
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465847
1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
CID 19132660
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9021288
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-1-(2,6-dichlorophenyl)methanimine
CID 4176024
2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline
CID 3543051
1,4-bis[(4-fluoro-3-methoxyphenyl)sulfonyl]-1,4-diazepane
CID 22332516
1-(3-ethoxy-4-fluorophenyl)sulfonylazepane
CID 935230
1-[3-methoxy-4-(tetrazol-1-yl)phenyl]sulfonylazepane
CID 858983

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine?
The IUPAC name of N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine (CID 23850129) is N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine.
What is the SMILES notation for N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine?
The canonical SMILES for N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine is COc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1ccccn1.
What is the InChIKey of N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine?
The InChIKey is FQPNMJAOMDOTAB-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-24-18-13-16(25(22,23)21-11-5-2-6-12-21)8-9-17(18)20-14-15-7-3-4-10-19-15/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3/b20-14+.
What are the key properties of N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine?
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine has a molecular weight of 359.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine is sourced from PubChem (CID 23850129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).